From 5848b7b74dc706f12b4b48706d2ba9009f06b976 Mon Sep 17 00:00:00 2001 From: thoffman Date: Thu, 16 Jan 2025 17:36:10 +0100 Subject: [PATCH 1/2] adding easyconfigs: HMMER-3.4-gompi-2024a.eb --- .../h/HMMER/HMMER-3.4-gompi-2024a.eb | 63 +++++++++++++++++++ 1 file changed, 63 insertions(+) create mode 100644 easybuild/easyconfigs/h/HMMER/HMMER-3.4-gompi-2024a.eb diff --git a/easybuild/easyconfigs/h/HMMER/HMMER-3.4-gompi-2024a.eb b/easybuild/easyconfigs/h/HMMER/HMMER-3.4-gompi-2024a.eb new file mode 100644 index 00000000000..f58d56361a1 --- /dev/null +++ b/easybuild/easyconfigs/h/HMMER/HMMER-3.4-gompi-2024a.eb @@ -0,0 +1,63 @@ +easyblock = 'ConfigureMake' + +name = 'HMMER' +version = '3.4' + +homepage = 'http://hmmer.org/' +description = """HMMER is used for searching sequence databases for homologs + of protein sequences, and for making protein sequence alignments. It + implements methods using probabilistic models called profile hidden Markov + models (profile HMMs). Compared to BLAST, FASTA, and other sequence + alignment and database search tools based on older scoring methodology, + HMMER aims to be significantly more accurate and more able to detect remote + homologs because of the strength of its underlying mathematical models. In the + past, this strength came at significant computational expense, but in the new + HMMER3 project, HMMER is now essentially as fast as BLAST.""" + +toolchain = {'name': 'gompi', 'version': '2024a'} + +source_urls = [ + 'http://eddylab.org/software/hmmer/', + 'http://eddylab.org/software/hmmer%(version_major)s/%(version)s/', +] +sources = [SOURCELOWER_TAR_GZ] +checksums = ['ca70d94fd0cf271bd7063423aabb116d42de533117343a9b27a65c17ff06fbf3'] + +builddependencies = [ + ('Python', '3.12.3'), + ('Perl', '5.38.2'), +] + +# replace hardcoded /usr/bin/perl shebang lines with '/usr/bin/env perl' across all files +preconfigopts = "grep '/usr/bin/perl' . | cut -f1 -d: | xargs echo sed -i 's@/usr/bin/perl@/usr/bin/env perl@g' && " + +configopts = '--enable-mpi' + +buildopts = ' V=1 ' + +testopts = buildopts +runtest = 'check' + +installopts = ' && cd easel && make install' + +local_bin_files = ['alimask', 'esl-afetch', 'esl-alimanip', 'esl-alimap', 'esl-alimask', + 'esl-alimerge', 'esl-alipid', 'esl-alirev', 'esl-alistat', 'esl-compalign', + 'esl-compstruct', 'esl-construct', 'esl-histplot', 'esl-mask', 'esl-reformat', + 'esl-selectn', 'esl-seqrange', 'esl-seqstat', 'esl-sfetch', 'esl-shuffle', + 'esl-ssdraw', 'esl-translate', 'esl-weight', 'hmmalign', 'hmmbuild', + 'hmmconvert', 'hmmemit', 'hmmfetch', 'hmmlogo', 'hmmpgmd', 'hmmpress', + 'hmmscan', 'hmmsearch', 'hmmsim', 'hmmstat', 'jackhmmer', 'makehmmerdb', + 'nhmmer', 'nhmmscan', 'phmmer'] + +sanity_check_paths = { + 'files': ["bin/%s" % x for x in local_bin_files], + 'dirs': ['bin', 'share'], +} + +sanity_check_commands = [ + "esl-construct -h", + "hmmsearch -h", + "nhmmer -h", +] + +moduleclass = 'bio' From 5039661bb997482492dfdda54d249928ec4f27ec Mon Sep 17 00:00:00 2001 From: Thomas Hoffmann <81254262+ThomasHoffmann77@users.noreply.github.com> Date: Fri, 17 Jan 2025 13:09:13 +0100 Subject: [PATCH 2/2] Update HMMER-3.4-gompi-2024a.eb @jpecar Can you please check the header I added? --- .../easyconfigs/h/HMMER/HMMER-3.4-gompi-2024a.eb | 16 ++++++++++++++++ 1 file changed, 16 insertions(+) diff --git a/easybuild/easyconfigs/h/HMMER/HMMER-3.4-gompi-2024a.eb b/easybuild/easyconfigs/h/HMMER/HMMER-3.4-gompi-2024a.eb index f58d56361a1..5e40c904940 100644 --- a/easybuild/easyconfigs/h/HMMER/HMMER-3.4-gompi-2024a.eb +++ b/easybuild/easyconfigs/h/HMMER/HMMER-3.4-gompi-2024a.eb @@ -1,3 +1,19 @@ +## +# EasyBuild reciPY as per https://github.com/easybuilders/easybuild +# +# Copyright:: Copyright 2012-2014 Uni.Lu/LCSB, NTUA +# Authors:: Nils Christian , +# Fotis Georgatos +# Updated by: Filip Kružík (INUITS) +# Jure Pečar (EMBL) +# License:: MIT/GPL +# $Id$ +# +# This work implements a part of the HPCBIOS project and is a +# component of the policy: +# https://hpcbios.readthedocs.org/en/latest/HPCBIOS_2012-94.html +## + easyblock = 'ConfigureMake' name = 'HMMER'